1-methyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyridin-2-one

C19H23N3O3 — CID 35706233

IUPAC1-methyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyridin-2-one
SMILESCn1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)cc1=O
InChIInChI=1S/C19H23N3O3/c1-20-8-7-16(15-18(20)23)19(24)22-11-9-21(10-12-22)13-14-25-17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3
InChIKeyVQGUXBNFIOLOLA-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.22
Rot. Bonds5

About 1-methyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyridin-2-one

1-methyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyridin-2-one (PubChem CID 35706233) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-methyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyridin-2-one
PubChem CID35706233
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-methyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyridin-2-one
SMILESCn1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)cc1=O
InChIInChI=1S/C19H23N3O3/c1-20-8-7-16(15-18(20)23)19(24)22-11-9-21(10-12-22)13-14-25-17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3
InChIKeyVQGUXBNFIOLOLA-UHFFFAOYSA-N
XLogP1.22
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 70726421
[4-(2-phenoxyethyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 27846975
4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 75460696
[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 110638188
(2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 119946208
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
1-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 86977371
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
N-[3-[4-(2-phenoxyethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 35604613
2-[4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 55574349
4-[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 95602171
1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]pyridin-2-one
CID 78863276

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyridin-2-one (CID 35706233) is 1-methyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyridin-2-one is Cn1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)cc1=O.
What is the InChIKey of 1-methyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyridin-2-one?
The InChIKey is VQGUXBNFIOLOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-20-8-7-16(15-18(20)23)19(24)22-11-9-21(10-12-22)13-14-25-17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3.
What are the key properties of 1-methyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyridin-2-one?
1-methyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyridin-2-one has a molecular weight of 341.41 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 35706233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).